1,3-bis(oxidanyl)propan-2-yl nonanoate; (1-octanoyloxy-3-oxidanyl-propan-2-yl) nonanoate

Systemtic Name: 1,3-bis(oxidanyl)propan-2-yl nonanoate; (1-octanoyloxy-3-oxidanyl-propan-2-yl) nonanoate Openeye Name: [2-hydroxy-1-(hydroxymethyl)ethyl] nonanoate; [1-(hydroxymethyl)-2-octanoyloxy-ethyl] nonanoate CAS Name: nonanoic acid 1,3-dihydroxypropan-2-yl ester; nonanoic acid [1-hydroxy-3-(1-oxooctoxy)propan-2-yl] ester IUPAC Name: 1,3-dihydroxypropan-2-yl nonanoate; (1-hydroxy-3-octanoyloxypropan-2-yl) nonanoate Traditional Name: pelargonic acid [1-(caprylyloxymethyl)-2-hydroxy-ethyl] ester; pelargonic acid (2-hydroxy-1-methylol-ethyl) ester Formula: C32H62O9 MolecularWeight: 590.82928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC(CO)CO.CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCC(=O)OC(CO)CO.CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC

InChI

InChI=1S/C20H38O5.C12H24O4/c1-3-5-7-9-11-13-15-20(23)25-18(16-21)17-24-19(22)14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-12(15)16-11(9-13)10-14/h18,21H,3-17H2,1-2H3;11,13-14H,2-10H2,1H3